发表论文：
1.HuiXin, Kai Guo, Dan Li*,Huaqing Yang*, Changwei Hu
Production of High-grade Diesel from Palmitic Acid over Activated Carbon-supported Nickel Phosphide Catalysts
Appl. Catal. B-Environ., 2016, DOI: 10.1016/j.apcatb.2016.01.051. (B级, 2014-IF=7.435)
2.Li-KeRen; Hua-Qing Yang*; Chang-Wei Hu*
“Theoretical Study on the Catalytic Oxidation Mechanism of 5-Hydroxymethylfurfural to 2, 5-Diformylfuran by PMo-Containing KegginHeteropolyacid”
Catal. Sci. & Technol., 2016, DOI: 10.1039/C5CY01895A. (C级, 2014-IF=5.426)
3.Ting Qi, Hua-Qing Yang*, Dennis M. Whitfield, Kui Yu*, Chang-Wei Hu
Insights into the Mechanistic Role of DiphenylphosphineSelenide, Diphenylphosphine, and Primary Amines in the Formation of CdSe Monomers J. Phys. Chem. A, 2016, DOI:10.1021/acs.jpca.5b10675. (C级, 2014-IF=2.693) Ben-Fang Su; Hong-Quan Fu; Hua-Qing Yang*; Chang-Wei Hu “Catalytic Reduction Mechanism of NO by CO on Rh4 Cluster: A Density Functional Theory Study”
Catal. Sci.& Technol., 2015, 5, 3203–3215.(C级, 2014-IF=5.426)
5.Shu Chen; Hua-Qing Yang*; Chang-Wei Hu*
“Theoretical Study on the Reaction Mechanisms of the Aldol-condensation of 5-hydroxymethylfurfural with Acetone Catalyzed by MgO and MgO”
Catal. Today, 2015, 245, 100–107.(C级, 2014-IF=3.893)
6.Hong-Quan Fu; Ben-Fang Su; Hua-Qing Yang*; Chang-Wei Hu
“Theoretical Insight into C-H and C-C Scission Mechanism of Ethane on Tetrahedral Pt4Subnanocluster”
RSC Adv., 2015, 5, 40978–40988.(C级, 2014-IF=3.840)
7.Hua-Qing Yang; Hong-Quan Fu; Ben-Fang Su; Bo Xiang; Qian-QianXu; Chang-Wei Hu*
“Theoretical Study on the Catalytic Reduction Mechanism of NO by CO on Tetrahedral Rh4Subnanocluster”
J. Phys. Chem. A,2015, 119, 11548−11564. (C级, 2014-IF=2.693)
8.Kui Yu*; Xiangyang Liu; Queena Y. Chen; Huaqing Yang*; Mingli Yang; Xinqin Wang; Xin Wang; Hong Cao; Dennis M. Whitfield; Changwei Hu; Ye Tao
“Mechanistic Study of the Role of Primary Amines in Precursor Conversions to Semiconductor Nanocrystals at Low Temperature”
Angew. Chem. Int. Ed.,2014, 53, 6898–6904.(B级, 2014-IF=11.261)
9.Meng-Fu He; Hong-Quan Fu; Ben-Fang Su; Hua-Qing Yang*; Jin-Qiang Tang; Chang-Wei Hu*
“Theoretical Insight into the Coordination of Cyclic β-D-Glucose to [Al(OH)(aq)] and [Al(OH)2(aq)] Ions”
J. Phys. Chem. B, 2014, 118, 13890−13902.(C级, 2014-IF=3.302)
10.Ting-Yong Ju; Hua-Qing Yang*; Fang-Ming Li; Xiang-Yuan Li ; Chang-Wei Hu*
“Activation of Propane C-H and C-C Bonds by a Diplatinum Cluster: Potential EnergySurfaces and Reaction Mechanisms”
Struct. Chem.,2014, 25, 471−481. (D级, 2014-IF=1.837)
11.Ting-Yong Ju; Hua-Qing Yang*; Fang-Ming Li; Xiang-Yuan Li; Chang-Wei Hu*
“Reaction Mechanism on the Activation of Ethane C-H and C-C Bonds by a Diplatinum Cluster”
Theor. Chem.Acc., 2013, 132(9), 1387−1400. (D级, 2014-IF=2.233)
12.QianqianXu; Huaqing Yang*; Chao Gao; Changwei Hu*
“Theoretical Study on the Reaction Mechanism of NO and CO Catalyzed by Rh Atom”
Struct.Chem., 2013, 24, 14−23.(D级, 2014-IF=1.837)
13.Caiqin Li; Huaqing Yang*; JianXu; Changwei Hu
“Hydroxylation Mechanism of Methane and its Derivatives over Designed Methane Monooxygenase Model with PeroxoDizinc Core”
Org. Biomol. Chem., 2012, 10, 3924−-3931.(D级, 2014-IF=3.562)
14.Fangming Li; Huaqing Yang*; TingyongJu; Xiangyuan Li; Changwei Hu
“Activation of Propane C-H and C-C Bonds by Gas-Phase Pt Atom: A Theoretical Study”
Int. J. Mol. Sci., 2012, 13, 9278−9297. (D级, 2014-IF=2.862)
15.Song Qin; Huaqing Yang*; Chao Gao; JianXu; Changwei Hu*
“Methane Dehydrogenation on Monomeric Rh Center Located on (100)γ-alumina — A Theoretical Study”
Surf. Sci., 2012, 606, 1899–1905.(D级, 2014-IF=1.925)
16.Fangming Li; Huaqing Yang*; TingyongJu; Xiangyuan Li; Changwei Hu
“Activation of C–H and C–C Bonds of Ethane by Gas-phase Pt atom: Potential Energy Surface and Reaction Mechanism”
Comput.Theor.Chem., 2012, 994, 112−120.(E级, 2014-IF=1.545)
17.Liang Dong; Jun Wen; Song Qin; Na Yang; Huaqing Yang; Zhishan Su; Xiaoqi Yu; Changwei Hu*
“Iron-Catalyzed Direct Suzuki−Miyaura Reaction: Theoretical and Experimental Studies on the Mechanism and the Regioselectivity”
ACS Catal.,2012, 2, 1829−1837.(B级, 2014-IF=9.312)
18.Liang Dong; Song Qin; Huaqing Yang; Zhishan Su; Changwei Hu*
“Theoretical Investigation on Copper Hydrides Catalyzed HydrosilylationReaction of 3-methylcyclohex-2-enone: Mechanism and Ligands’ Effect”
Catal. Sci. Technol., 2012, 2, 564–569.(C级, 2014-IF=5.426)
19.Huaqing Yang; Changwei Hu*; Chao Gao; Mengyao Yang; Fangming Li; Caiqin Li; Xiangyuan Li
“Theoretical Study on the Gas-Phase Reaction Mechanism Between Palladium Monoxide and Methane”
J.Comput.Chem.,2011, 32, 3440−3455.(C级, 2014-IF=3.589)
20.Mengyao Yang; Huaqing Yang*; Chao Gao; Song Qin; Changwei Hu*
“Theoretical Study on the Gas-phase Reaction Mechanism BetweenRhodium Monoxide Cation and Methane”
Struct.Chem., 2011, 22, 983−997.(D级, 2014-IF=1.837)
21.Weiyi Li; Song Qin; Zhishan Su; Huaqing Yang; Changwei Hu*
“Theoretical Study on the Mechanism of Al(salalen)-Catalyzed Hydrophosphonylation of Aldehydes”
Organometallics,2011, 30, 2095–2104.(C级, 2014-IF=4.126)
22.Chao Gao; Huaqing Yang*; JianXu; Song Qin; Changwei Hu*
“Theoretical Study on the Gas-phase Reaction Mechanism BetweenRhodium Monoxide and Methane for Methanol Production”
J.Comput.Chem.,2010, 31(5), 938−953.(C级, 2014-IF=3.589)
23.JianXu; Huaqing Yang*; Song Qin; Changwei Hu*
“Theoretical Study on Methane Hydroxylation by Mimic Methane Monooxygenase with Bis(μ-oxo)dimanganeseBore”
J.Theor.&Comput.Chem.,2010, 9(1), 233−247.(E级, 2014-IF=0.638)
24.Xiuli Cao; Song Qin;Zhishan Su; Huaqing Yang; Changwei Hu*; XiaomingFeng*
“Theoretical Study on Hetero-Diels–Alder Reaction of Butadiene with Benzaldehyde Catalyzed by Chiral InIII Complexes”
Eur. J. Org. Chem.,2010, 20, 3867−3875.(D级, 2014-IF=3.065)
25.Liang Dong; Song Qin;Zhishan Su; Huaqing Yang; Changwei Hu*
“Computational Investigation on the Mechanism and the Stereoselectivity of Morita–Baylis–Hillman Reaction and the Effect of the BifunctionalCatalyst N-methylprolinol”
Org.Biomol.Chem.,2010, 8 3985−3991.(D级, 2014-IF=3.562)
26.Huaqing Yang; Song Qin; Song Qin; Changwei Hu*
“Theoretical Study on the Gas-Phase Reaction Mechanism Between Nickel Monoxide and Methane for Syngas Production”
J.Comput.Chem.,2009, 30(6), 847−863.(<span =>C级, 2014-IF=3.589)
27.Song Qin; Huaqing Yang; Song Qin; JianXu; Changwei Hu*
“A DFT Study on the Reaction Mechanism of SrO + CH4”
J.Theor.&Comput.Chem.,2008, 7(2), 189−203.(E级, 2014-IF=0.638)
28.Song Qin; Changwei Hu*; Huaqing Yang; Zhishan Su; Dianyong Tang
“Computational Investigation on Stereochemistry in Tianium-Salicylaldehydes-Catalyzed Cyanation of Benzaldehyde”
J. Org. Chem.,2008, 73(13), 4840−4847.(C级, 2014-IF=4.721)
29.Huaqing Yang; Changwei Hu*; Qin Song
“Theoretical Study on the Reaction Mechanism of CH4 with CaO”
Chem. Phys.,2006, 330, 343−348. (D级, 2014-IF=1.652)
30.Zhishan Su; Song Qin; Dianyong Tang; Huaqing Yang; Changwei Hu*
“Theoretical Study on the Reaction of Methane and Zinc Oxide in Gas Phase”
J. Mol. Struc. (THEOCHEM ),2006, 778, 41−48. (E级, 2014-IF=1.545)
31.Song Qin; Changwei Hu*; Huaqing Yang; Zhishan Su
“Theoretical Study on the Reaction Mechanism of the Gas-Phase H2/ CO2/Ni(D) System”
J. Phys. Chem. A,2005, 109, 6498−6502. (C级, 2014-IF=2.693)
32.Song Qin; Changwei Hu*; Huaqing Yang
“Theoretical Study on the Mechanism of the Reaction of Ni(dS)+H2+CO2→NiCO+H2O”
J.Theor.Comput.Chem.,2005, 4(2), 449−459.(E级, 2014-IF=0.638)
33.Changwei Hu*; Huaqing Yang; Ning-Bew Wong*;Yaoqiang Chen; Maochu Gong; AnminTian; Can Li; Wai-Kee Li
“A Theoretical Study on the Mechanism of the Reaction of CH4 + MgO”
J. Phys. Chem. A,2003, 107, 2316−2323.(C级, 2014-IF=2.693)
34.Changwei Hu*; Huaqing Yang; Yaoqiang Chen; Maochu Gong; AnminTian; Ning-Bew Wong
“CH2 Activation by Naked Ni atom. A DFT study”
J. Mol. Struc.(THEOCHEM ), 2003, 639, 35−42. (E级, 2014-IF=1.545)
35.Huaqing Yang; Yaoqiang Chen; Changwei Hu*; Maochu Gong; Hairong Hu; AnminTian; Ning-Bew Wong
“Methane Activation by Naked NiAtom: a Theoretical Study”
Chem. Phys.Lett.,2002, 355, 233−240. (D级, 2014-IF=1.897)
36.杨华清; 胡常伟; 陈耀强; 龚茂初; 田安民
“MgO活化甲烷碳氢键的密度泛函研究”
化学学报 (ActaChimSinica),2002, 60(7), 1334−1338.(E级, 2014-IF=1.426)
37.Huaqing Yang; Yaoqiang Chen; Changwei Hu*; Hairong Hu; Maochu Gong; AnminTian; Ning-Bew Wang
“C-H Bond Activation: Ni(dS) + CH4 → NiCH2 + H2. A DFT Study”
J. Mol.Struc.(THEOCHEM), 2001, 574, 57−74. (E级, 2014-IF=1.545)
38.Changwei Hu*; Jie Yao; Huaqing Yang; Yaoqiang Chen; AnminTian
“On the Inhomogeneity of Low Nickel Loading MethanationCatalyst”
J.Catal.,1997, 166(1), 1−7. (C级, 2014-IF=6.921)
